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2D Structure
Also known as: Alpha-pyrone, 504-31-4, Pyran-2-one, Pyranone, 2-pyranone, 2-pyrone
Molecular Formula
C5H4O2
Molecular Weight
96.08  g/mol
InChI Key
ZPSJGADGUYYRKE-UHFFFAOYSA-N
FDA UNII
8WW45I202V

-pyrone is a natural product found in Kerria japonica, Sanguisorba canadensis, and other organisms with data available.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
pyran-2-one
2.1.2 InChI
InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H
2.1.3 InChI Key
ZPSJGADGUYYRKE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=O)OC=C1
2.2 Other Identifiers
2.2.1 UNII
8WW45I202V
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-pyrone

2.3.2 Depositor-Supplied Synonyms

1. Alpha-pyrone

2. 504-31-4

3. Pyran-2-one

4. Pyranone

5. 2-pyranone

6. 2-pyrone

7. Coumalin

8. Pyrone

9. A-pyrone

10. .alpha.-pyrone

11. 2-oxo-2h-pyran

12. Chembl1934663

13. Chebi:37965

14. 8ww45i202v

15. Oxidopyrylium

16. Unii-8ww45i202v

17. Einecs 207-990-5

18. 2h-pyrane-2-one

19. 1,2-pyrone

20. 2h-pyran, 2-oxo-

21. 2h-pyran-2-one, 90%

22. Dtxsid50198441

23. Zinc1846601

24. Bdbm50360796

25. Geo-04164

26. Mfcd00006639

27. Cs-w013734

28. As-56552

29. Db-051773

30. Ft-0622198

31. P1183

32. 2h-pyran-2-one, Technical, >=90% (gc)

33. 5-hydroxy-2,4-pentadienoic Acid Delta-lactone

34. F16388

35. 5-hydroxy-2,4-pentadienoic Acid Delta -lactone

36. A828125

37. Q209475

38. 2,4-pentadienoic Acid, 5-hydroxy-, .delta.-lactone

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 96.08 g/mol
Molecular Formula C5H4O2
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass96.021129366 g/mol
Monoisotopic Mass96.021129366 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1